9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)

C46H51N5Pt — CID 162467002

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)

9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 162467002) has the molecular formula C46H51N5Pt and a molecular weight of 869.03 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 162467002
• Molecular Formula: C46H51N5Pt
• Molecular Weight: 869.03 g/mol
• Exact Mass: 868.38
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccc(C(C)(C)C(C)(C)c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[n-]1.[Pt+2]
• InChI: InChI=1S/C46H51N5.Pt/c1-29(2)33-16-14-17-34(30(3)4)42(33)50-26-25-48-43(50)37-21-22-40(49-37)46(10,11)45(8,9)32-19-20-36-35-15-12-13-18-38(35)51(39(36)27-32)41-28-31(23-24-47-41)44(5,6)7;/h12-26,28-30H,1-11H3;/q-2;+2
• InChIKey: YAEPVBISHZXHKV-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.03
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+) (CID 162467002) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+) is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1ccc(C(C)(C)C(C)(C)c2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[n-]1.[Pt+2].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is YAEPVBISHZXHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51N5.Pt/c1-29(2)33-16-14-17-34(30(3)4)42(33)50-26-25-48-43(50)37-21-22-40(49-37)46(10,11)45(8,9)32-19-20-36-35-15-12-13-18-38(35)51(39(36)27-32)41-28-31(23-24-47-41)44(5,6)7;/h12-26,28-30H,1-11H3;/q-2;+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+)?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 869.03 g/mol, XLogP of 11.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 162467002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).